4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C21H20N4S/c1-14-5-8-18(9-6-14)25-20-19(11-24-25)21(23-13-22-20)26-12-17-10-15(2)4-7-16(17)3/h4-11,13H,12H2,1-3H3